2,4,4,4-tetrafluorobut-2-enal

C4H2F4O — CID 54441098

IUPAC2,4,4,4-tetrafluorobut-2-enal
SMILESO=CC(F)=CC(F)(F)F
InChIInChI=1S/C4H2F4O/c5-3(2-9)1-4(6,7)8/h1-2H
InChIKeyWODNDBBQZFBIKO-UHFFFAOYSA-N
MW142.05 g/mol
LogP1.60
Rot. Bonds1

About 2,4,4,4-tetrafluorobut-2-enal

2,4,4,4-tetrafluorobut-2-enal (PubChem CID 54441098) has the molecular formula C4H2F4O and a molecular weight of 142.05 g/mol. Its IUPAC name is 2,4,4,4-tetrafluorobut-2-enal.

Molecular Properties

Compound Name2,4,4,4-tetrafluorobut-2-enal
PubChem CID54441098
Molecular FormulaC4H2F4O
Molecular Weight142.05 g/mol
Exact Mass142.00
IUPAC Name2,4,4,4-tetrafluorobut-2-enal
SMILESO=CC(F)=CC(F)(F)F
InChIInChI=1S/C4H2F4O/c5-3(2-9)1-4(6,7)8/h1-2H
InChIKeyWODNDBBQZFBIKO-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enal
CID 13667832
(E)-2:2 Fluorotelomer unsaturated aldehyde
CID 162396671
(Z)-2:2 Fluorotelomer unsaturated aldehyde
CID 162396672
(2E)-4,4,4-trifluorobut-2-enal
CID 53755079
4,4-Difluorobut-2-enal
CID 91562895
4,4,5,5,5-Pentafluoropent-2-en-1-one
CID 129878550
4,4,4-Trifluorocrotonaldehyde
CID 11400760
(Z)-2,4,4,4-tetrafluoro-2-butenal
CID 17767365
(Z)-2,5,5,5-tetrafluoropent-2-enal
CID 17767370
(Z)-2,4,4,5,5,5-hexafluoropent-2-enal
CID 17767371
2,5,5,5-Tetrafluoropent-2-enal
CID 53720224
2,4,4,5,5,5-Hexafluoropent-2-enal
CID 54089804

Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluorobut-2-enal?
The IUPAC name of 2,4,4,4-tetrafluorobut-2-enal (CID 54441098) is 2,4,4,4-tetrafluorobut-2-enal.
What is the SMILES notation for 2,4,4,4-tetrafluorobut-2-enal?
The canonical SMILES for 2,4,4,4-tetrafluorobut-2-enal is O=CC(F)=CC(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluorobut-2-enal?
The InChIKey is WODNDBBQZFBIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O/c5-3(2-9)1-4(6,7)8/h1-2H.
What are the key properties of 2,4,4,4-tetrafluorobut-2-enal?
2,4,4,4-tetrafluorobut-2-enal has a molecular weight of 142.05 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluorobut-2-enal is sourced from PubChem (CID 54441098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).